ATOM 22
1 C8y C 24.5630 -22.2248
2 C8x C 24.5630 -23.6323
3 C8x C 25.7819 -24.3361
4 C8y C 27.0009 -23.6323
5 C8y C 27.0009 -22.2248
6 C8x C 25.7819 -21.5211
7 C1x C 28.2198 -24.3361
8 C1y C 29.4386 -23.6323
9 C8y C 29.4386 -22.2248
10 C8y C 28.2198 -21.5211
11 N1x N 30.6576 -24.3361
12 C1x C 31.8765 -23.6323
13 C1x C 31.8765 -22.2248
14 C8y C 30.6576 -21.5211
15 C8x C 30.6576 -20.1136
16 C8y C 29.4386 -19.4099
17 C8y C 28.2198 -20.1136
18 O1a O 23.3442 -21.5211
19 O2a O 27.0029 -19.4111
20 O2a O 29.4386 -18.0025
21 C1a C 28.2049 -17.2901
22 C1a C 27.0025 -18.2147
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 14 15 2
18 15 16 1
19 16 17 2
20 10 17 1
21 1 18 1
22 17 19 1
23 16 20 1
24 20 21 1
25 19 22 1
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